CAS RN: 131892-74-5
CAS Name: cobalt(2+); hydron; 2-oxopentanedioate; dihydrate
OPENEYE Name: cobaltous; hydron; 2-oxopentanedioate; dihydrate
IUPAC Name: cobalt(2+); hydron; 2-oxopentanedioate; dihydrate
SYSTEMATIC NAME: cobalt(2+); hydron; 2-oxidanylidenepentanedioate; dihydrate
MOLECULAR FORMULA: C10H14CoO12
MOLECULAR WEIGHT: 385.14416
SMILES: [H+].[H+].C(CC(=O)[O-])C(=O)C(=O)[O-].C(CC(=O)[O-])C(=O)C(=O)[O-].O.O.[Co+2]
Structure:
CAS RN: 131814-59-0
CAS Name: 2-[[3-(4-fluorophenyl)-4-oxo-1-benzopyran-7-yl]oxy]propanoic acid methyl ester
OPENEYE Name: methyl 2-[3-(4-fluorophenyl)-4-oxo-chromen-7-yl]oxypropanoate
IUPAC Name: methyl 2-[3-(4-fluorophenyl)-4-oxochromen-7-yl]oxypropanoate
SYSTEMATIC NAME: methyl 2-[3-(4-fluorophenyl)-4-oxidanylidene-chromen-7-yl]oxypropanoate
MOLECULAR FORMULA: C19H15FO5
MOLECULAR WEIGHT: 342.317803
SMILES: CC(C(=O)OC)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=C(C=C3)F
Structure:
CAS RN: 131814-57-8
CAS Name: 2-[[3-(2-fluorophenyl)-4-oxo-1-benzopyran-7-yl]oxy]propanoic acid methyl ester
OPENEYE Name: methyl 2-[3-(2-fluorophenyl)-4-oxo-chromen-7-yl]oxypropanoate
IUPAC Name: methyl 2-[3-(2-fluorophenyl)-4-oxochromen-7-yl]oxypropanoate
SYSTEMATIC NAME: methyl 2-[3-(2-fluorophenyl)-4-oxidanylidene-chromen-7-yl]oxypropanoate
MOLECULAR FORMULA: C19H15FO5
MOLECULAR WEIGHT: 342.317803
SMILES: CC(C(=O)OC)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=CC=C3F
Structure:
CAS RN: 131810-94-1
CAS Name: magnesium 3-[(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]propanoate hydrate
OPENEYE Name: magnesium 3-[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]propanoate hydrate
IUPAC Name: magnesium 3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoate hydrate
SYSTEMATIC NAME: magnesium 3-[[3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoate hydrate
MOLECULAR FORMULA: C18H34MgN2O11
MOLECULAR WEIGHT: 478.77436
SMILES: CC(C)(CO)C(C(=O)NCCC(=O)[O-])O.CC(C)(CO)C(C(=O)NCCC(=O)[O-])O.O.[Mg+2]
Structure:
CAS RN: 131627-55-9
CAS Name: 3-(cyclopropylmethyl)-7H-purine-2,6-dione
OPENEYE Name: 3-(cyclopropylmethyl)-7H-purine-2,6-dione
IUPAC Name: 3-(cyclopropylmethyl)-7H-purine-2,6-dione
SYSTEMATIC NAME: 3-(cyclopropylmethyl)-7H-purine-2,6-dione
MOLECULAR FORMULA: C9H10N4O2
MOLECULAR WEIGHT: 206.2013
SMILES: C1CC1CN2C3=C(C(=O)NC2=O)NC=N3
Structure:
CAS RN: 131604-21-2
CAS Name: 7-bromo-3-[4-[4-morpholinyl(oxo)methyl]anilino]-2-phenyl-4-quinazolinone
OPENEYE Name: 7-bromo-3-[4-(morpholine-4-carbonyl)anilino]-2-phenyl-quinazolin-4-one
IUPAC Name: 7-bromo-3-[4-(morpholine-4-carbonyl)anilino]-2-phenylquinazolin-4-one
SYSTEMATIC NAME: 7-bromanyl-3-[(4-morpholin-4-ylcarbonylphenyl)amino]-2-phenyl-quinazolin-4-one
MOLECULAR FORMULA: C25H21BrN4O3
MOLECULAR WEIGHT: 505.36324
SMILES: C1COCCN1C(=O)C2=CC=C(C=C2)NN3C(=NC4=C(C3=O)C=CC(=C4)Br)C5=CC=CC=C5
Structure:
CAS RN: 131604-20-1
CAS Name: 7-bromo-3-[4-[oxo(1-piperidinyl)methyl]anilino]-2-phenyl-4-quinazolinone
OPENEYE Name: 7-bromo-2-phenyl-3-[4-(piperidine-1-carbonyl)anilino]quinazolin-4-one
IUPAC Name: 7-bromo-2-phenyl-3-[4-(piperidine-1-carbonyl)anilino]quinazolin-4-one
SYSTEMATIC NAME: 7-bromanyl-2-phenyl-3-[(4-piperidin-1-ylcarbonylphenyl)amino]quinazolin-4-one
MOLECULAR FORMULA: C26H23BrN4O2
MOLECULAR WEIGHT: 503.39042
SMILES: C1CCN(CC1)C(=O)C2=CC=C(C=C2)NN3C(=NC4=C(C3=O)C=CC(=C4)Br)C5=CC=CC=C5
Structure:
CAS RN: 131604-19-8
CAS Name: 4-[(7-bromo-4-oxo-2-phenyl-3-quinazolinyl)amino]-N,N-diethylbenzamide
OPENEYE Name: 4-[(7-bromo-4-oxo-2-phenyl-quinazolin-3-yl)amino]-N,N-diethyl-benzamide
IUPAC Name: 4-[(7-bromo-4-oxo-2-phenylquinazolin-3-yl)amino]-N,N-diethylbenzamide
SYSTEMATIC NAME: 4-[(7-bromanyl-4-oxidanylidene-2-phenyl-quinazolin-3-yl)amino]-N,N-diethyl-benzamide
MOLECULAR FORMULA: C25H23BrN4O2
MOLECULAR WEIGHT: 491.37972
SMILES: CCN(CC)C(=O)C1=CC=C(C=C1)NN2C(=NC3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4
Structure:
CAS RN: 131604-18-7
CAS Name: 4-[(7-bromo-4-oxo-2-phenyl-3-quinazolinyl)amino]-N,N-bis(2-hydroxyethyl)benzamide
OPENEYE Name: 4-[(7-bromo-4-oxo-2-phenyl-quinazolin-3-yl)amino]-N,N-bis(2-hydroxyethyl)benzamide
IUPAC Name: 4-[(7-bromo-4-oxo-2-phenylquinazolin-3-yl)amino]-N,N-bis(2-hydroxyethyl)benzamide
SYSTEMATIC NAME: 4-[(7-bromanyl-4-oxidanylidene-2-phenyl-quinazolin-3-yl)amino]-N,N-bis(2-hydroxyethyl)benzamide
MOLECULAR FORMULA: C25H23BrN4O4
MOLECULAR WEIGHT: 523.37852
SMILES: C1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)Br)C(=O)N2NC4=CC=C(C=C4)C(=O)N(CCO)CCO
Structure:
CAS RN: 131604-17-6
CAS Name: 7-bromo-3-[4-[oxo-(4-phenyl-1-piperazinyl)methyl]anilino]-2-phenyl-4-quinazolinone
OPENEYE Name: 7-bromo-2-phenyl-3-[4-(4-phenylpiperazine-1-carbonyl)anilino]quinazolin-4-one
IUPAC Name: 7-bromo-2-phenyl-3-[4-(4-phenylpiperazine-1-carbonyl)anilino]quinazolin-4-one
SYSTEMATIC NAME: 7-bromanyl-2-phenyl-3-[[4-(4-phenylpiperazin-1-yl)carbonylphenyl]amino]quinazolin-4-one
MOLECULAR FORMULA: C31H26BrN5O2
MOLECULAR WEIGHT: 580.47444
SMILES: C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)NN4C(=NC5=C(C4=O)C=CC(=C5)Br)C6=CC=CC=C6
Structure:
CAS RN: 131604-16-5
CAS Name: 7-bromo-3-[4-[(4-methyl-1-piperazinyl)-oxomethyl]anilino]-2-phenyl-4-quinazolinone
OPENEYE Name: 7-bromo-3-[4-(4-methylpiperazine-1-carbonyl)anilino]-2-phenyl-quinazolin-4-one
IUPAC Name: 7-bromo-3-[4-(4-methylpiperazine-1-carbonyl)anilino]-2-phenylquinazolin-4-one
SYSTEMATIC NAME: 7-bromanyl-3-[[4-(4-methylpiperazin-1-yl)carbonylphenyl]amino]-2-phenyl-quinazolin-4-one
MOLECULAR FORMULA: C26H24BrN5O2
MOLECULAR WEIGHT: 518.40506
SMILES: CN1CCN(CC1)C(=O)C2=CC=C(C=C2)NN3C(=NC4=C(C3=O)C=CC(=C4)Br)C5=CC=CC=C5
Structure:
CAS RN: 131604-15-4
CAS Name: N,N-diethyl-4-[(4-oxo-2-phenyl-3-quinazolinyl)amino]benzamide
OPENEYE Name: N,N-diethyl-4-[(4-oxo-2-phenyl-quinazolin-3-yl)amino]benzamide
IUPAC Name: N,N-diethyl-4-[(4-oxo-2-phenylquinazolin-3-yl)amino]benzamide
SYSTEMATIC NAME: N,N-diethyl-4-[(4-oxidanylidene-2-phenyl-quinazolin-3-yl)amino]benzamide
MOLECULAR FORMULA: C25H24N4O2
MOLECULAR WEIGHT: 412.48366
SMILES: CCN(CC)C(=O)C1=CC=C(C=C1)NN2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4
Structure:
CAS RN: 131604-14-3
CAS Name: N,N-bis(2-hydroxyethyl)-4-[(4-oxo-2-phenyl-3-quinazolinyl)amino]benzamide
OPENEYE Name: N,N-bis(2-hydroxyethyl)-4-[(4-oxo-2-phenyl-quinazolin-3-yl)amino]benzamide
IUPAC Name: N,N-bis(2-hydroxyethyl)-4-[(4-oxo-2-phenylquinazolin-3-yl)amino]benzamide
SYSTEMATIC NAME: N,N-bis(2-hydroxyethyl)-4-[(4-oxidanylidene-2-phenyl-quinazolin-3-yl)amino]benzamide
MOLECULAR FORMULA: C25H24N4O4
MOLECULAR WEIGHT: 444.48246
SMILES: C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC4=CC=C(C=C4)C(=O)N(CCO)CCO
Structure:
CAS RN: 131604-13-2
CAS Name: 3-[4-[oxo-(4-phenyl-1-piperazinyl)methyl]anilino]-2-phenyl-4-quinazolinone
OPENEYE Name: 2-phenyl-3-[4-(4-phenylpiperazine-1-carbonyl)anilino]quinazolin-4-one
IUPAC Name: 2-phenyl-3-[4-(4-phenylpiperazine-1-carbonyl)anilino]quinazolin-4-one
SYSTEMATIC NAME: 2-phenyl-3-[[4-(4-phenylpiperazin-1-yl)carbonylphenyl]amino]quinazolin-4-one
MOLECULAR FORMULA: C31H27N5O2
MOLECULAR WEIGHT: 501.57838
SMILES: C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)NN4C(=NC5=CC=CC=C5C4=O)C6=CC=CC=C6
Structure:
CAS RN: 131604-12-1
CAS Name: 3-[4-[(4-methyl-1-piperazinyl)-oxomethyl]anilino]-2-phenyl-4-quinazolinone
OPENEYE Name: 3-[4-(4-methylpiperazine-1-carbonyl)anilino]-2-phenyl-quinazolin-4-one
IUPAC Name: 3-[4-(4-methylpiperazine-1-carbonyl)anilino]-2-phenylquinazolin-4-one
SYSTEMATIC NAME: 3-[[4-(4-methylpiperazin-1-yl)carbonylphenyl]amino]-2-phenyl-quinazolin-4-one
MOLECULAR FORMULA: C26H25N5O2
MOLECULAR WEIGHT: 439.509
SMILES: CN1CCN(CC1)C(=O)C2=CC=C(C=C2)NN3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5
Structure:
CAS RN: 131604-11-0
CAS Name: 3-[4-[oxo(1-piperidinyl)methyl]anilino]-2-phenyl-4-quinazolinone
OPENEYE Name: 2-phenyl-3-[4-(piperidine-1-carbonyl)anilino]quinazolin-4-one
IUPAC Name: 2-phenyl-3-[4-(piperidine-1-carbonyl)anilino]quinazolin-4-one
SYSTEMATIC NAME: 2-phenyl-3-[(4-piperidin-1-ylcarbonylphenyl)amino]quinazolin-4-one
MOLECULAR FORMULA: C26H24N4O2
MOLECULAR WEIGHT: 424.49436
SMILES: C1CCN(CC1)C(=O)C2=CC=C(C=C2)NN3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5
Structure:
CAS RN: 131604-10-9
CAS Name: 3-[4-[4-morpholinyl(oxo)methyl]anilino]-2-phenyl-4-quinazolinone
OPENEYE Name: 3-[4-(morpholine-4-carbonyl)anilino]-2-phenyl-quinazolin-4-one
IUPAC Name: 3-[4-(morpholine-4-carbonyl)anilino]-2-phenylquinazolin-4-one
SYSTEMATIC NAME: 3-[(4-morpholin-4-ylcarbonylphenyl)amino]-2-phenyl-quinazolin-4-one
MOLECULAR FORMULA: C25H22N4O3
MOLECULAR WEIGHT: 426.46718
SMILES: C1COCCN1C(=O)C2=CC=C(C=C2)NN3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5
Structure:
CAS RN: 131541-24-7
CAS Name: 4-(4-ethynylphenyl)-1-(4-fluorophenyl)-3,5,8-trioxabicyclo[2.2.2]octane
OPENEYE Name: 4-(4-ethynylphenyl)-1-(4-fluorophenyl)-3,5,8-trioxabicyclo[2.2.2]octane
IUPAC Name: 4-(4-ethynylphenyl)-1-(4-fluorophenyl)-3,5,8-trioxabicyclo[2.2.2]octane
SYSTEMATIC NAME: 4-(4-ethynylphenyl)-1-(4-fluorophenyl)-3,5,8-trioxabicyclo[2.2.2]octane
MOLECULAR FORMULA: C19H15FO3
MOLECULAR WEIGHT: 310.319003
SMILES: C#CC1=CC=C(C=C1)C23OCC(CO2)(CO3)C4=CC=C(C=C4)F
Structure:
CAS RN: 131528-81-9
CAS Name: 4-[(3,4-dimethoxyphenyl)methylideneamino]-N-[5-[(2-methylanilino)methyl]-4,6-dioxo-3-phenyl-2-sulfanylidene-1,3-diazinan-1-yl]benzamide
OPENEYE Name: 4-[(3,4-dimethoxyphenyl)methyleneamino]-N-[5-[(2-methylanilino)methyl]-4,6-dioxo-3-phenyl-2-thioxo-hexahydropyrimidin-1-yl]benzamide
IUPAC Name: 4-[(3,4-dimethoxyphenyl)methylideneamino]-N-[5-[(2-methylanilino)methyl]-4,6-dioxo-3-phenyl-2-sulfanylidene-1,3-diazinan-1-yl]benzamide
SYSTEMATIC NAME: 4-[(3,4-dimethoxyphenyl)methylideneamino]-N-[5-[[(2-methylphenyl)amino]methyl]-4,6-bis(oxidanylidene)-3-phenyl-2-sulfanylidene-1,3-diazinan-1-yl]benzamide
MOLECULAR FORMULA: C34H31N5O5S
MOLECULAR WEIGHT: 621.70544
SMILES: CC1=CC=CC=C1NCC2C(=O)N(C(=S)N(C2=O)NC(=O)C3=CC=C(C=C3)N=CC4=CC(=C(C=C4)OC)OC)C5=CC=CC=C5
Structure:
CAS RN: 131528-76-2
CAS Name: 4-[(2-chlorophenyl)methylideneamino]-N-[3-(2-methoxyphenyl)-5-[(2-methylanilino)methyl]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzamide
OPENEYE Name: 4-[(2-chlorophenyl)methyleneamino]-N-[3-(2-methoxyphenyl)-5-[(2-methylanilino)methyl]-4,6-dioxo-2-thioxo-hexahydropyrimidin-1-yl]benzamide
IUPAC Name: 4-[(2-chlorophenyl)methylideneamino]-N-[3-(2-methoxyphenyl)-5-[(2-methylanilino)methyl]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzamide
SYSTEMATIC NAME: 4-[(2-chlorophenyl)methylideneamino]-N-[3-(2-methoxyphenyl)-5-[[(2-methylphenyl)amino]methyl]-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]benzamide
MOLECULAR FORMULA: C33H28ClN5O4S
MOLECULAR WEIGHT: 626.12452
SMILES: CC1=CC=CC=C1NCC2C(=O)N(C(=S)N(C2=O)NC(=O)C3=CC=C(C=C3)N=CC4=CC=CC=C4Cl)C5=CC=CC=C5OC
Structure:
CAS RN: 131528-75-1
CAS Name: N-[5-(anilinomethyl)-3-(2-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]-4-[(2-chlorophenyl)methylideneamino]benzamide
OPENEYE Name: N-[5-(anilinomethyl)-3-(2-methoxyphenyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-1-yl]-4-[(2-chlorophenyl)methyleneamino]benzamide
IUPAC Name: N-[5-(anilinomethyl)-3-(2-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]-4-[(2-chlorophenyl)methylideneamino]benzamide
SYSTEMATIC NAME: 4-[(2-chlorophenyl)methylideneamino]-N-[3-(2-methoxyphenyl)-4,6-bis(oxidanylidene)-5-(phenylazanylmethyl)-2-sulfanylidene-1,3-diazinan-1-yl]benzamide
MOLECULAR FORMULA: C32H26ClN5O4S
MOLECULAR WEIGHT: 612.09794
SMILES: COC1=CC=CC=C1N2C(=O)C(C(=O)N(C2=S)NC(=O)C3=CC=C(C=C3)N=CC4=CC=CC=C4Cl)CNC5=CC=CC=C5
Structure:
CAS RN: 131528-74-0
CAS Name: N-[5-(anilinomethyl)-4,6-dioxo-3-phenyl-2-sulfanylidene-1,3-diazinan-1-yl]-4-[(2-chlorophenyl)methylideneamino]benzamide
OPENEYE Name: N-[5-(anilinomethyl)-4,6-dioxo-3-phenyl-2-thioxo-hexahydropyrimidin-1-yl]-4-[(2-chlorophenyl)methyleneamino]benzamide
IUPAC Name: N-[5-(anilinomethyl)-4,6-dioxo-3-phenyl-2-sulfanylidene-1,3-diazinan-1-yl]-4-[(2-chlorophenyl)methylideneamino]benzamide
SYSTEMATIC NAME: N-[4,6-bis(oxidanylidene)-3-phenyl-5-(phenylazanylmethyl)-2-sulfanylidene-1,3-diazinan-1-yl]-4-[(2-chlorophenyl)methylideneamino]benzamide
MOLECULAR FORMULA: C31H24ClN5O3S
MOLECULAR WEIGHT: 582.07196
SMILES: C1=CC=C(C=C1)NCC2C(=O)N(C(=S)N(C2=O)NC(=O)C3=CC=C(C=C3)N=CC4=CC=CC=C4Cl)C5=CC=CC=C5
Structure:
CAS RN: 131528-73-9
CAS Name: N-[3-(2-methoxyphenyl)-5-[(2-methylanilino)methyl]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]-4-[(phenylmethylene)amino]benzamide
OPENEYE Name: 4-(benzylideneamino)-N-[3-(2-methoxyphenyl)-5-[(2-methylanilino)methyl]-4,6-dioxo-2-thioxo-hexahydropyrimidin-1-yl]benzamide
IUPAC Name: 4-(benzylideneamino)-N-[3-(2-methoxyphenyl)-5-[(2-methylanilino)methyl]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzamide
SYSTEMATIC NAME: N-[3-(2-methoxyphenyl)-5-[[(2-methylphenyl)amino]methyl]-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]-4-[(phenylmethylidene)amino]benzamide
MOLECULAR FORMULA: C33H29N5O4S
MOLECULAR WEIGHT: 591.67946
SMILES: CC1=CC=CC=C1NCC2C(=O)N(C(=S)N(C2=O)NC(=O)C3=CC=C(C=C3)N=CC4=CC=CC=C4)C5=CC=CC=C5OC
Structure:
CAS RN: 131528-72-8
CAS Name: N-[5-(anilinomethyl)-3-(2-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]-4-[(phenylmethylene)amino]benzamide
OPENEYE Name: N-[5-(anilinomethyl)-3-(2-methoxyphenyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-1-yl]-4-(benzylideneamino)benzamide
IUPAC Name: N-[5-(anilinomethyl)-3-(2-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]-4-(benzylideneamino)benzamide
SYSTEMATIC NAME: N-[3-(2-methoxyphenyl)-4,6-bis(oxidanylidene)-5-(phenylazanylmethyl)-2-sulfanylidene-1,3-diazinan-1-yl]-4-[(phenylmethylidene)amino]benzamide
MOLECULAR FORMULA: C32H27N5O4S
MOLECULAR WEIGHT: 577.65288
SMILES: COC1=CC=CC=C1N2C(=O)C(C(=O)N(C2=S)NC(=O)C3=CC=C(C=C3)N=CC4=CC=CC=C4)CNC5=CC=CC=C5
Structure:
CAS RN: 131528-71-7
CAS Name: N-[5-[(2-methylanilino)methyl]-4,6-dioxo-3-phenyl-2-sulfanylidene-1,3-diazinan-1-yl]-4-[(phenylmethylene)amino]benzamide
OPENEYE Name: 4-(benzylideneamino)-N-[5-[(2-methylanilino)methyl]-4,6-dioxo-3-phenyl-2-thioxo-hexahydropyrimidin-1-yl]benzamide
IUPAC Name: 4-(benzylideneamino)-N-[5-[(2-methylanilino)methyl]-4,6-dioxo-3-phenyl-2-sulfanylidene-1,3-diazinan-1-yl]benzamide
SYSTEMATIC NAME: N-[5-[[(2-methylphenyl)amino]methyl]-4,6-bis(oxidanylidene)-3-phenyl-2-sulfanylidene-1,3-diazinan-1-yl]-4-[(phenylmethylidene)amino]benzamide
MOLECULAR FORMULA: C32H27N5O3S
MOLECULAR WEIGHT: 561.65348
SMILES: CC1=CC=CC=C1NCC2C(=O)N(C(=S)N(C2=O)NC(=O)C3=CC=C(C=C3)N=CC4=CC=CC=C4)C5=CC=CC=C5
Structure:
CAS RN: 131528-52-4
CAS Name: N-[5-(anilinomethyl)-4,6-dioxo-3-phenyl-2-sulfanylidene-1,3-diazinan-1-yl]-4-[(phenylmethylene)amino]benzamide
OPENEYE Name: N-[5-(anilinomethyl)-4,6-dioxo-3-phenyl-2-thioxo-hexahydropyrimidin-1-yl]-4-(benzylideneamino)benzamide
IUPAC Name: N-[5-(anilinomethyl)-4,6-dioxo-3-phenyl-2-sulfanylidene-1,3-diazinan-1-yl]-4-(benzylideneamino)benzamide
SYSTEMATIC NAME: N-[4,6-bis(oxidanylidene)-3-phenyl-5-(phenylazanylmethyl)-2-sulfanylidene-1,3-diazinan-1-yl]-4-[(phenylmethylidene)amino]benzamide
MOLECULAR FORMULA: C31H25N5O3S
MOLECULAR WEIGHT: 547.6269
SMILES: C1=CC=C(C=C1)C=NC2=CC=C(C=C2)C(=O)NN3C(=O)C(C(=O)N(C3=S)C4=CC=CC=C4)CNC5=CC=CC=C5
Structure:
CAS RN: 131511-64-3
CAS Name: 2-[2-(diethylamino)ethylthio]-7-methyl-4-oxo-1-phenyl-6-pyrido[2,3-d]pyrimidinecarboxylic acid ethyl ester hydrochloride
OPENEYE Name: ethyl 2-[2-(diethylamino)ethylsulfanyl]-7-methyl-4-oxo-1-phenyl-pyrido[2,3-d]pyrimidine-6-carboxylate hydrochloride
IUPAC Name: ethyl 2-[2-(diethylamino)ethylsulfanyl]-7-methyl-4-oxo-1-phenylpyrido[2,3-d]pyrimidine-6-carboxylate hydrochloride
SYSTEMATIC NAME: ethyl 2-[2-(diethylamino)ethylsulfanyl]-7-methyl-4-oxidanylidene-1-phenyl-pyrido[2,3-d]pyrimidine-6-carboxylate hydrochloride
MOLECULAR FORMULA: C23H29ClN4O3S
MOLECULAR WEIGHT: 477.01936
SMILES: CCN(CC)CCSC1=NC(=O)C2=CC(=C(N=C2N1C3=CC=CC=C3)C)C(=O)OCC.Cl
Structure:
CAS RN: 131505-64-1
CAS Name: 4-(4-ethynylphenyl)-1-(2-fluorophenyl)-3,5,8-trioxabicyclo[2.2.2]octane
OPENEYE Name: 4-(4-ethynylphenyl)-1-(2-fluorophenyl)-3,5,8-trioxabicyclo[2.2.2]octane
IUPAC Name: 4-(4-ethynylphenyl)-1-(2-fluorophenyl)-3,5,8-trioxabicyclo[2.2.2]octane
SYSTEMATIC NAME: 4-(4-ethynylphenyl)-1-(2-fluorophenyl)-3,5,8-trioxabicyclo[2.2.2]octane
MOLECULAR FORMULA: C19H15FO3
MOLECULAR WEIGHT: 310.319003
SMILES: C#CC1=CC=C(C=C1)C23OCC(CO2)(CO3)C4=CC=CC=C4F
Structure:
CAS RN: 131505-63-0
CAS Name: 4-(4-ethynylphenyl)-1-(3-fluorophenyl)-3,5,8-trioxabicyclo[2.2.2]octane
OPENEYE Name: 4-(4-ethynylphenyl)-1-(3-fluorophenyl)-3,5,8-trioxabicyclo[2.2.2]octane
IUPAC Name: 4-(4-ethynylphenyl)-1-(3-fluorophenyl)-3,5,8-trioxabicyclo[2.2.2]octane
SYSTEMATIC NAME: 4-(4-ethynylphenyl)-1-(3-fluorophenyl)-3,5,8-trioxabicyclo[2.2.2]octane
MOLECULAR FORMULA: C19H15FO3
MOLECULAR WEIGHT: 310.319003
SMILES: C#CC1=CC=C(C=C1)C23OCC(CO2)(CO3)C4=CC(=CC=C4)F
Structure:
CAS RN: 131505-62-9
CAS Name: 2-[4-[1-(4-fluorophenyl)-3,5,8-trioxabicyclo[2.2.2]octan-4-yl]phenyl]ethynyl-trimethylsilane
OPENEYE Name: 2-[4-[1-(4-fluorophenyl)-3,5,8-trioxabicyclo[2.2.2]octan-4-yl]phenyl]ethynyl-trimethyl-silane
IUPAC Name: 2-[4-[1-(4-fluorophenyl)-3,5,8-trioxabicyclo[2.2.2]octan-4-yl]phenyl]ethynyl-trimethylsilane
SYSTEMATIC NAME: 2-[4-[1-(4-fluorophenyl)-3,5,8-trioxabicyclo[2.2.2]octan-4-yl]phenyl]ethynyl-trimethyl-silane
MOLECULAR FORMULA: C22H23FO3Si
MOLECULAR WEIGHT: 382.500123
SMILES: C[Si](C)(C)C#CC1=CC=C(C=C1)C23OCC(CO2)(CO3)C4=CC=C(C=C4)F
Structure:
CAS RN: 131505-60-7
CAS Name: 2-[4-[1-(3-fluorophenyl)-3,5,8-trioxabicyclo[2.2.2]octan-4-yl]phenyl]ethynyl-trimethylsilane
OPENEYE Name: 2-[4-[1-(3-fluorophenyl)-3,5,8-trioxabicyclo[2.2.2]octan-4-yl]phenyl]ethynyl-trimethyl-silane
IUPAC Name: 2-[4-[1-(3-fluorophenyl)-3,5,8-trioxabicyclo[2.2.2]octan-4-yl]phenyl]ethynyl-trimethylsilane
SYSTEMATIC NAME: 2-[4-[1-(3-fluorophenyl)-3,5,8-trioxabicyclo[2.2.2]octan-4-yl]phenyl]ethynyl-trimethyl-silane
MOLECULAR FORMULA: C22H23FO3Si
MOLECULAR WEIGHT: 382.500123
SMILES: C[Si](C)(C)C#CC1=CC=C(C=C1)C23OCC(CO2)(CO3)C4=CC(=CC=C4)F
Structure:
CAS RN: 131505-57-2
CAS Name: 4-(4-ethynylphenyl)-1-(1-methylcyclopropyl)-3,5,8-trioxabicyclo[2.2.2]octane
OPENEYE Name: 4-(4-ethynylphenyl)-1-(1-methylcyclopropyl)-3,5,8-trioxabicyclo[2.2.2]octane
IUPAC Name: 4-(4-ethynylphenyl)-1-(1-methylcyclopropyl)-3,5,8-trioxabicyclo[2.2.2]octane
SYSTEMATIC NAME: 4-(4-ethynylphenyl)-1-(1-methylcyclopropyl)-3,5,8-trioxabicyclo[2.2.2]octane
MOLECULAR FORMULA: C17H18O3
MOLECULAR WEIGHT: 270.32302
SMILES: CC1(CC1)C23COC(OC2)(OC3)C4=CC=C(C=C4)C#C
Structure:
CAS RN: 131505-56-1
CAS Name: trimethyl-[2-[4-[1-(1-methylcyclopropyl)-3,5,8-trioxabicyclo[2.2.2]octan-4-yl]phenyl]ethynyl]silane
OPENEYE Name: trimethyl-[2-[4-[1-(1-methylcyclopropyl)-3,5,8-trioxabicyclo[2.2.2]octan-4-yl]phenyl]ethynyl]silane
IUPAC Name: trimethyl-[2-[4-[1-(1-methylcyclopropyl)-3,5,8-trioxabicyclo[2.2.2]octan-4-yl]phenyl]ethynyl]silane
SYSTEMATIC NAME: trimethyl-[2-[4-[1-(1-methylcyclopropyl)-3,5,8-trioxabicyclo[2.2.2]octan-4-yl]phenyl]ethynyl]silane
MOLECULAR FORMULA: C20H26O3Si
MOLECULAR WEIGHT: 342.50414
SMILES: CC1(CC1)C23COC(OC2)(OC3)C4=CC=C(C=C4)C#C[Si](C)(C)C
Structure:
CAS RN: 131505-53-8
CAS Name: 4-(4-ethynylphenyl)-1-[(1R,2R)-2-methylcyclopropyl]-3,5,8-trioxabicyclo[2.2.2]octane
OPENEYE Name: 4-(4-ethynylphenyl)-1-[(1R,2R)-2-methylcyclopropyl]-3,5,8-trioxabicyclo[2.2.2]octane
IUPAC Name: 4-(4-ethynylphenyl)-1-[(1R,2R)-2-methylcyclopropyl]-3,5,8-trioxabicyclo[2.2.2]octane
SYSTEMATIC NAME: 4-(4-ethynylphenyl)-1-[(1R,2R)-2-methylcyclopropyl]-3,5,8-trioxabicyclo[2.2.2]octane
MOLECULAR FORMULA: C17H18O3
MOLECULAR WEIGHT: 270.32302
SMILES: C[C@@H]1C[C@H]1C23COC(OC2)(OC3)C4=CC=C(C=C4)C#C
Structure:
CAS RN: 131505-52-7
CAS Name: trimethyl-[2-[4-[1-[(1R,2R)-2-methylcyclopropyl]-3,5,8-trioxabicyclo[2.2.2]octan-4-yl]phenyl]ethynyl]silane
OPENEYE Name: trimethyl-[2-[4-[1-[(1R,2R)-2-methylcyclopropyl]-3,5,8-trioxabicyclo[2.2.2]octan-4-yl]phenyl]ethynyl]silane
IUPAC Name: trimethyl-[2-[4-[1-[(1R,2R)-2-methylcyclopropyl]-3,5,8-trioxabicyclo[2.2.2]octan-4-yl]phenyl]ethynyl]silane
SYSTEMATIC NAME: trimethyl-[2-[4-[1-[(1R,2R)-2-methylcyclopropyl]-3,5,8-trioxabicyclo[2.2.2]octan-4-yl]phenyl]ethynyl]silane
MOLECULAR FORMULA: C20H26O3Si
MOLECULAR WEIGHT: 342.50414
SMILES: C[C@@H]1C[C@H]1C23COC(OC2)(OC3)C4=CC=C(C=C4)C#C[Si](C)(C)C
Structure:
CAS RN: 131505-50-5
CAS Name: 1-cyclopropyl-4-(4-ethynylphenyl)-3,5,8-trioxabicyclo[2.2.2]octane
OPENEYE Name: 1-cyclopropyl-4-(4-ethynylphenyl)-3,5,8-trioxabicyclo[2.2.2]octane
IUPAC Name: 1-cyclopropyl-4-(4-ethynylphenyl)-3,5,8-trioxabicyclo[2.2.2]octane
SYSTEMATIC NAME: 1-cyclopropyl-4-(4-ethynylphenyl)-3,5,8-trioxabicyclo[2.2.2]octane
MOLECULAR FORMULA: C16H16O3
MOLECULAR WEIGHT: 256.29644
SMILES: C#CC1=CC=C(C=C1)C23OCC(CO2)(CO3)C4CC4
Structure:
CAS RN: 131505-49-2
CAS Name: 2-[4-(1-cyclopropyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)phenyl]ethynyl-trimethylsilane
OPENEYE Name: 2-[4-(1-cyclopropyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)phenyl]ethynyl-trimethyl-silane
IUPAC Name: 2-[4-(1-cyclopropyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)phenyl]ethynyl-trimethylsilane
SYSTEMATIC NAME: 2-[4-(1-cyclopropyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)phenyl]ethynyl-trimethyl-silane
MOLECULAR FORMULA: C19H24O3Si
MOLECULAR WEIGHT: 328.47756
SMILES: C[Si](C)(C)C#CC1=CC=C(C=C1)C23OCC(CO2)(CO3)C4CC4
Structure:
CAS RN: 131505-43-6
CAS Name: 1-cyclobutyl-4-(4-ethynylphenyl)-3,5,8-trioxabicyclo[2.2.2]octane
OPENEYE Name: 1-cyclobutyl-4-(4-ethynylphenyl)-3,5,8-trioxabicyclo[2.2.2]octane
IUPAC Name: 1-cyclobutyl-4-(4-ethynylphenyl)-3,5,8-trioxabicyclo[2.2.2]octane
SYSTEMATIC NAME: 1-cyclobutyl-4-(4-ethynylphenyl)-3,5,8-trioxabicyclo[2.2.2]octane
MOLECULAR FORMULA: C17H18O3
MOLECULAR WEIGHT: 270.32302
SMILES: C#CC1=CC=C(C=C1)C23OCC(CO2)(CO3)C4CCC4
Structure:
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